3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-5-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-5-chloranyl-2-methoxy-benzoic acid Openeye Name: 3-(2-amino-1-methyl-2-oxo-ethyl)sulfonyl-5-chloro-2-methoxy-benzoic acid CAS Name: 3-(1-amino-1-oxopropan-2-yl)sulfonyl-5-chloro-2-methoxybenzoic acid IUPAC Name: 3-(1-amino-1-oxopropan-2-yl)sulfonyl-5-chloro-2-methoxybenzoic acid Traditional Name: 3-(2-amino-2-keto-1-methyl-ethyl)sulfonyl-5-chloro-2-methoxy-benzoic acid Formula: C11H12ClNO6S MolecularWeight: 321.73408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)S(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

Isomeric SMILES

CC(C(=O)N)S(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

InChI

InChI=1S/C11H12ClNO6S/c1-5(10(13)14)20(17,18)8-4-6(12)3-7(11(15)16)9(8)19-2/h3-5H,1-2H3,(H2,13,14)(H,15,16)